Methyl beta,4-dimethoxybenzenepropanoate
TL;DR: Methyl beta,4-dimethoxybenzenepropanoate (CAS 69098-08-4) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methoxy-3-(4-methoxyphenyl)propanoate
Also Known As: ICCB4_000131, Methyl beta,4-dimethoxybenzenepropanoate, methyl 3-methoxy-3-(4-methoxyphenyl)propanoate, methyl 3-methoxy-3-(p-methoxyphenyl)propionate, RefChem:817645
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 1.9458 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 331.37692 |
Chemical Identifiers
| CAS Number | 69098-08-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(CC(=O)OC)OC |
Product Overview
Methyl beta,4-dimethoxybenzenepropanoate (CAS 69098-08-4), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: methyl 3-methoxy-3-(4-methoxyphenyl)propanoate.
Chemical Property Profile of Methyl beta,4-dimethoxybenzenepropanoate
Property Insights of Methyl beta,4-dimethoxybenzenepropanoate
The XLogP value of 1.9458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl beta,4-dimethoxybenzenepropanoate. With a topological polar surface area (TPSA) of 44.76 Ų, Methyl beta,4-dimethoxybenzenepropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl beta,4-dimethoxybenzenepropanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl beta,4-dimethoxybenzenepropanoate?
The CAS number of Methyl beta,4-dimethoxybenzenepropanoate is 69098-08-4.
What is the molecular formula of Methyl beta,4-dimethoxybenzenepropanoate?
The molecular formula of Methyl beta,4-dimethoxybenzenepropanoate is C12H16O4.
What is the molecular weight of Methyl beta,4-dimethoxybenzenepropanoate?
The molecular weight of Methyl beta,4-dimethoxybenzenepropanoate is 224.10 g/mol.
Where can I buy Methyl beta,4-dimethoxybenzenepropanoate?
You can request a quote for Methyl beta,4-dimethoxybenzenepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl beta,4-dimethoxybenzenepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl beta,4-dimethoxybenzenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.